150-90-3 Sodium Succinate

Introduction

CAS No. :	150-90-3	MDL No. :	MFCD00002790
Formula :	C4H4Na2O4	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	ZDQYSKICYIVCPN-UHFFFAOYSA-L
M.W :	162.05	Pubchem ID :	9020
Synonyms :		Chemical Name :	Sodium Succinate

Physicochemical Properties

Num. heavy atoms :	10
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.5
Num. rotatable bonds :	3
Num. H-bond acceptors :	4.0
Num. H-bond donors :	0.0
Molar Refractivity :	21.0
TPSA :	80.26 Ų

Pharmacokinetics

GI absorption :	Low
BBB permeant :	No
P-gp substrate :	Yes
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-7.71 cm/s

Lipophilicity

Log Po/w (iLOGP) :	-19.59
Log Po/w (XLOGP3) :	-0.59
Log Po/w (WLOGP) :	-2.73
Log Po/w (MLOGP) :	-0.54
Log Po/w (SILICOS-IT) :	-0.63
Consensus Log Po/w :	-4.82

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	2.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-0.28
Solubility :	86.0 mg/ml ; 0.531 mol/l
Class :	Very soluble
Log S (Ali) :	-0.62
Solubility :	38.5 mg/ml ; 0.237 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	0.61
Solubility :	666.0 mg/ml ; 4.11 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.42

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P305+P351+P338	UN#:	N/A
Hazard Statements:	H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

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